SCHEMBL1724070

SCHEMBL1724070

CCCCCCCC(C)OS(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NAAA Q02083 1/20 0.42
LAP3 P28838 1/20 0.41
SMPD1 P17405 3/20 0.40
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FDPS P14324 3/20 0.39
GPR84 Q9NQS5 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28904273 1.00 FAAH (0.45) FAAHCNR1CNR2NAAALAP3
SCHEMBL29518777 1.00 FAAH (0.45) FAAHCNR1CNR2NAAALAP3
SCHEMBL29518559 1.00 FAAH (0.45) FAAHCNR1CNR2NAAALAP3
SCHEMBL1723843 0.98 FAAH (0.42) FAAHCNR1CNR2NAAALAP3
SCHEMBL28930157 0.82 SMPD1 (0.41) LAP3SMPD1FDPSGPR84
SCHEMBL29196392 0.81 LMNA (0.45) FAAH
SCHEMBL28452534 0.80 CA2 (0.41) SMPD1FDPSGPR84
SCHEMBL9791365 0.80 FAAH (0.44) FAAHCNR1CNR2NAAALAP3
SCHEMBL28408321 0.80 CA2 (0.41) SMPD1FDPSGPR84
SCHEMBL28904274 0.78 SMPD1 (0.39) LAP3SMPD1FDPSGPR84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902004-B1 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed